Molecular Properties | |
SMILES: | CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccnc1Cl)C2=O |
MW: | 392.16 |
Fraction sp3: | 0.58 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 91.4 |
cLogP: | 3.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9630519248 |
MolPort: | MolPort-035-697-794 |
2-halo pyridine
hydantoin
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
MAR-TRE-7f7bb9f0-55
0.701
MAR-TRE-d0525fbf-83
0.505
MAR-TRE-04c86cea-44
0.419
MAR-TRE-b77b7921-91
0.414
AAR-POS-0daf6b7e-20
0.411
SID-ELM-8b394441-4
0.398
MAK-UNK-a7b37c5e-3
0.388
MAR-TRE-74c6519b-53
0.382
MAR-TRE-b77b7921-63
0.374
MAR-TRE-67513f76-54
0.365
MAR-TRE-9c797165-96
0.364
MAR-TRE-3e4e6814-41
0.354
MAR-TRE-74c6519b-44
0.353
MAR-TRE-4b834d9a-1
0.349
AGN-NEW-cce853d0-1
0.344
MAR-TRE-9c797165-42
0.340
MAR-TRE-d0525fbf-93
0.337
MAR-TRE-7f7bb9f0-23
0.337
MAR-TRE-9c797165-27
0.333
MAR-TRE-7f7bb9f0-48
0.330
MAR-TRE-7f7bb9f0-42
0.330
AGN-NEW-cce853d0-3
0.330
MAR-TRE-9c797165-49
0.327
MAR-TRE-7f7bb9f0-61
0.326
MAR-TRE-67513f76-71
0.321
MAR-TRE-3e4e6814-63
0.320
MAR-TRE-9c797165-76
0.315
MAR-TRE-04c86cea-62
0.314
SID-ELM-8b394441-3
0.310
MAR-TRE-4b834d9a-29
0.306
BAR-COM-0f94fc3d-31
0.301
MAR-TRE-2fd8122f-63
0.298
MAR-TRE-3e4e6814-95
0.295
MAR-TRE-3e4e6814-55
0.292
MAR-TRE-f6f5f473-27
0.269
MAR-TRE-7f7bb9f0-95
0.268
MAR-TRE-3e4e6814-81
0.267
MAR-TRE-0fda4e82-89
0.267
SIM-DEM-2843056b-7
0.259
MAR-TRE-f6f5f473-50
0.257
MAR-TRE-04c86cea-68
0.255
MAR-TRE-4b834d9a-83
0.254
SIM-DEM-1d7050d3-1
0.252
SIM-DEM-2843056b-3
0.252
AGN-NEW-c7b24fe3-4
0.250
AGN-NEW-c7b24fe3-5
0.250
MAR-TRE-3e4e6814-53
0.250
MAR-TRE-f6f5f473-35
0.250
SID-ELM-1f105489-6
0.250
MAR-TRE-7f7bb9f0-96
0.248
MAR-TRE-4b834d9a-55
0.248
MAR-TRE-4b834d9a-95
0.248
NJA-MAN-b8640440-12
0.248
AGN-NEW-c7b24fe3-3
0.247
AGN-NEW-c7b24fe3-6
0.247
SID-ELM-8b394441-2
0.247
BEN-VAN-77cef4f8-2
0.246
MAR-TRE-4b834d9a-90
0.246
MAR-TRE-7f7bb9f0-59
0.245
SIM-DEM-2843056b-5
0.245
SIM-DEM-2843056b-6
0.245
MAR-TRE-74c6519b-95
0.245
MAR-TRE-3159af1a-93
0.245
SAD-SAT-b55127ae-8
0.245
BAR-COM-0f94fc3d-27
0.245
EDG-MED-0da5ad92-14
0.245
MAR-TRE-74c6519b-15
0.243
MAR-TRE-b77b7921-84
0.243
MAR-TRE-d0525fbf-27
0.243
MAR-TRE-f6f5f473-43
0.243
MAR-TRE-67513f76-30
0.243
MAR-TRE-f6f5f473-59
0.241
MAR-TRE-7f7bb9f0-88
0.241
MAR-TRE-74c6519b-75
0.241
AGN-NEW-cce853d0-2
0.240
MAR-TRE-b77b7921-52
0.240
MAR-TRE-67513f76-37
0.240
MAR-TRE-0fda4e82-90
0.240
MAT-POS-e9e99895-6
0.240
RAF-POL-b61b4b25-5
0.239
MAR-TRE-f6f5f473-88
0.239
MAR-TRE-74c6519b-3
0.239
MAR-TRE-8190bb11-2
0.239
BEN-VAN-77cef4f8-5
0.238
BEN-VAN-77cef4f8-1
0.238
MAR-TRE-3e4e6814-46
0.237
MAR-TRE-9c797165-39
0.237
MAR-TRE-3e4e6814-32
0.237
MAK-UNK-b2c98f02-1
0.236
ERI-BAS-50567787-1
0.236
MAR-TRE-9c797165-59
0.236
MAR-TRE-9c797165-35
0.235
MAR-TRE-f6f5f473-44
0.235
NIC-BIO-25446079-3
0.235
ANT-DIA-3c79be55-1
0.235
MAR-TRE-74c6519b-32
0.235
MAR-TRE-04c86cea-6
0.235
SEL-UNI-8426c22c-2
0.235
SID-ELM-8b394441-17
0.235
MAR-TRE-7f7bb9f0-93
0.234